CID 199707

2-thiazoline, 2-((2-aminoethyl)thio)-, dihydrobromide

Structural Information

Molecular Formula

C₅H₁₀N₂S₂

SMILES

C1CSC(=N1)SCCN

InChI

InChI=1S/C5H10N2S2/c6-1-3-8-5-7-2-4-9-5/h1-4,6H2

InChIKey

DPBVZVBWIWUUBT-UHFFFAOYSA-N

Compound name

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 162.02853 Da
Monoisotopic Mass: 0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	163.035806	129.7
[M+Na]+	185.017748	137.9
[M-H]-	161.021254	131.4
[M+NH4]+	180.062353	151.2
[M+K]+	200.991688	134.6
[M+H-H2O]+	145.025790	123.8
[M+HCOO]-	207.026731	142.9
[M+CH3COO]-	221.042381	174.8
[M+Na-2H]-	183.003196	130.0
[M]+	162.02798142	129.3
[M]-	162.02907858	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe